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Substance Name: Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(3-benzoyl-alpha-methylbenzeneacetate)
RN: 71381-98-1
InChIKey: NQUXWHLPYJZMLI-UHFFFAOYSA-N

Molecular Weight

  • 700.824
 
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Names and Synonyms

  • Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(3-benzoyl-alpha-methylbenzeneacetate)

Registry Numbers

CAS Registry Number

  • 71381-98-1

System Generated Number

  • 0071381981

Structure Descriptors

InChI

1S/C44H44O8/c1-26(2)42-22-28(4)44-35(39(42)50-43(51-42,52-44)24-30-13-8-6-9-14-30)20-31(23-41(48)36(44)19-27(3)38(41)46)25-49-40(47)29(5)33-17-12-18-34(21-33)37(45)32-15-10-7-11-16-32/h6-21,28-29,35-36,39,48H,1,22-25H2,2-5H3

InChIKey

NQUXWHLPYJZMLI-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@]23[C@@H]4[C@@](O)(C(=O)C(=C4)C)CC(=C[C@@H]2[C@@H]2[C@@]1(C(=C)C)O[C@@](O3)(Cc1ccccc1)O2)COC([C@@H](c1cccc(c1)C(c1ccccc1)=O)C)=O)C